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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50430727'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50430727
PNG
(CHEMBL2333929)
Show SMILES C[C@H](Cc1ccc(OCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)cc1)N(C)CC#C |r|
Show InChI InChI=1S/C32H40ClN3O/c1-4-20-36(3)24(2)22-25-13-16-27(17-14-25)37-21-10-6-5-9-19-34-32-28-11-7-8-12-30(28)35-31-23-26(33)15-18-29(31)32/h1,13-18,23-24H,5-12,19-22H2,2-3H3,(H,34,35)/t24-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 79n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride as substrate after 15 mins by Ellman's method


Eur J Med Chem 62: 745-53 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.039
BindingDB Entry DOI: 10.7270/Q2C82BN6
More data for this
Ligand-Target Pair